[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone

C22H33N3O2 — CID 167928129

IUPAC[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCCN1CCC(N2CCC(C(=O)N3Cc4ccc(OC)cc4C3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-23-10-8-20(9-11-23)24-12-6-17(7-13-24)22(26)25-15-18-4-5-21(27-2)14-19(18)16-25/h4-5,14,17,20H,3,6-13,15-16H2,1-2H3
InChIKeyCFHYFADJXNYONS-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.73
Rot. Bonds4

About [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone

[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 167928129) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
PubChem CID167928129
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCCN1CCC(N2CCC(C(=O)N3Cc4ccc(OC)cc4C3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-23-10-8-20(9-11-23)24-12-6-17(7-13-24)22(26)25-15-18-4-5-21(27-2)14-19(18)16-25/h4-5,14,17,20H,3,6-13,15-16H2,1-2H3
InChIKeyCFHYFADJXNYONS-UHFFFAOYSA-N
XLogP2.73
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone with MolForge

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Related Compounds

[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
(3,5-dimethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2913713
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 138004668
2-[3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]acetamide
CID 131891055
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881418
9-(cyclopropanecarbonyl)-13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 163042303
[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42693463
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone (CID 167928129) is [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone is CCN1CCC(N2CCC(C(=O)N3Cc4ccc(OC)cc4C3)CC2)CC1.
What is the InChIKey of [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is CFHYFADJXNYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-23-10-8-20(9-11-23)24-12-6-17(7-13-24)22(26)25-15-18-4-5-21(27-2)14-19(18)16-25/h4-5,14,17,20H,3,6-13,15-16H2,1-2H3.
What are the key properties of [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone?
[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 371.53 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 167928129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).